diff --git a/src/Configuration.cpp b/src/Configuration.cpp index fc8400d19f711ef4bb2d53063b0aae06425f5ce6..3ba66018cb51fac9516d85bc347f02453c808aeb 100644 --- a/src/Configuration.cpp +++ b/src/Configuration.cpp @@ -726,7 +726,7 @@ int Configuration::readParameters(const char * config_file) { btfcap *= 2; bondTableFile = new String[btfcap]; for (int j = 0; j < numTabBondFiles; j++) - bondTableFile[i] = temp[i]; + bondTableFile[j] = temp[j]; delete[] temp; } if (readBondFile(value, ++currBond)) @@ -768,7 +768,7 @@ int Configuration::readParameters(const char * config_file) { atfcap *= 2; angleTableFile = new String[atfcap]; for (int j = 0; j < numTabAngleFiles; j++) - angleTableFile[i] = temp[i]; + angleTableFile[j] = temp[j]; delete[] temp; } if (readAngleFile(value, ++currAngle)) @@ -786,7 +786,7 @@ int Configuration::readParameters(const char * config_file) { dtfcap *= 2; dihedralTableFile = new String[dtfcap]; for (int j = 0; j < numTabDihedralFiles; j++) - dihedralTableFile[i] = temp[i]; + dihedralTableFile[j] = temp[j]; delete[] temp; } if (readDihedralFile(value, ++currDihedral)) diff --git a/src/GrandBrownTown.cu b/src/GrandBrownTown.cu index 9e85ef4113f762df311b9363b3fd25df20773416..d5271d6ba2111e1b5063f15ca3b7051d229a6fee 100644 --- a/src/GrandBrownTown.cu +++ b/src/GrandBrownTown.cu @@ -205,9 +205,14 @@ GrandBrownTown::GrandBrownTown(const Configuration& c, const char* outArg, for (int p = 0; p < numTabBondFiles; p++) if (bondTableFile[p].length() > 0) { //MLog: make sure to add to all GPUs + // printf("...loading %s\n",bondTableFile[p].val()); internal->addBondPotential(bondTableFile[p].val(), p, bonds); - printf("%s\n",bondTableFile[p].val()); + // printf("%s\n",bondTableFile[p].val()); + } else { + printf("...skipping %s (\n",bondTableFile[p].val()); + internal->addBondPotential(bondTableFile[p].val(), p, bonds); } + } if (c.readAnglesFromFile) {